(N-methylanilino)-triphenylphosphanium

C25H23NP+ — CID 2828348

IUPAC(N-methylanilino)-triphenylphosphanium
SMILESCN(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP/c1-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3/q+1
InChIKeyZHNDIBIWARRRHC-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.03
Rot. Bonds5

About (N-methylanilino)-triphenylphosphanium

(N-methylanilino)-triphenylphosphanium (PubChem CID 2828348) has the molecular formula C25H23NP+ and a molecular weight of 368.44 g/mol. Its IUPAC name is (N-methylanilino)-triphenylphosphanium.

Molecular Properties

Compound Name(N-methylanilino)-triphenylphosphanium
PubChem CID2828348
Molecular FormulaC25H23NP+
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(N-methylanilino)-triphenylphosphanium
SMILESCN(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP/c1-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3/q+1
InChIKeyZHNDIBIWARRRHC-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (N-methylanilino)-triphenylphosphanium?
The IUPAC name of (N-methylanilino)-triphenylphosphanium (CID 2828348) is (N-methylanilino)-triphenylphosphanium.
What is the SMILES notation for (N-methylanilino)-triphenylphosphanium?
The canonical SMILES for (N-methylanilino)-triphenylphosphanium is CN(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (N-methylanilino)-triphenylphosphanium?
The InChIKey is ZHNDIBIWARRRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NP/c1-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3/q+1.
What are the key properties of (N-methylanilino)-triphenylphosphanium?
(N-methylanilino)-triphenylphosphanium has a molecular weight of 368.44 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N-methylanilino)-triphenylphosphanium is sourced from PubChem (CID 2828348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).